Phenyl 2-hydroxy-4,5-dimethoxybenzoate

Base Information

• Chemical Name: Phenyl 2-hydroxy-4,5-dimethoxybenzoate
• CAS No.: 877997-98-3
• Molecular Formula: C15H14O5
• Molecular Weight: 274.273
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80698444
• Nikkaji Number: J2.155.727G
• Wikidata: Q72483772
• Mol file: 877997-98-3.mol

Synonyms:PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE;877997-98-3;MFCD08063359;Phenyl2-hydroxy-4,5-dimethoxybenzoate;SCHEMBL1041629;DTXSID80698444;JXURAFZSOJQXKD-UHFFFAOYSA-N;BCP18595;CKB99798;AKOS016002134;DS-15438;SY108239;CS-0150609;FT-0751906;F14808;2-Hydroxy-4,5-dimethoxybenzoic acid phenyl ester;A922661

Chemical Property of Phenyl 2-hydroxy-4,5-dimethoxybenzoate

Chemical Property:

• Boiling Point: 431.2±45.0 °C(Predicted)
• PKA: 8.83±0.23(Predicted)
• PSA: 64.99000
• Density: 1.250±0.06 g/cm3(Predicted)
• LogP: 2.62860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 274.08412354
• Heavy Atom Count: 20
• Complexity: 313

Purity/Quality:

98%min ^*data from raw suppliers

Phenyl2-Hydroxy-4,5-dimethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)O)OC

Technology Process of Phenyl 2-hydroxy-4,5-dimethoxybenzoate

There total 6 articles about Phenyl 2-hydroxy-4,5-dimethoxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

triphenyl phosphite (101-02-0) + 2-hydroxy-4,5-dimethoxybenzoic acid (5722-93-0) → 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester (877997-98-3)

Guidance literature:

sulfuric acid; In toluene; for 2.5h; Product distribution / selectivity; Heating / reflux;

Reference yield: 64.0%

2-hydroxy-4,5-dimethoxybenzoic acid (5722-93-0) + phenol (108-95-2,27073-41-2) → 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester (877997-98-3)

Guidance literature:

With thionyl chloride; In methanol; 5,5-dimethyl-1,3-cyclohexadiene;

Reference yield: 60.0%

tris (4-nitrophenyl) phosphite + 2-hydroxy-4,5-dimethoxybenzoic acid (5722-93-0) → 2-hydroxy-4,5-dimethoxybenzoic acid phenyl ester (877997-98-3) + 2-hydroxy-4,5-dimethoxybenzoic acid 4-nitrophenyl ester

Guidance literature:

With sulfuric acid; In methanol; argon; toluene;

upstream raw materials:

triphenyl phosphite

2-hydroxy-4,5-dimethoxybenzoic acid

phenol

Veratric acid

Downstream raw materials:

2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid methyl ester

CH₄O*C₁₄H₁₄N₂O₆S

2-[N-(4,5-dimethoxy-2-hydroxybenzoyl)amino]-4-[(2-diisopropyl-aminoethyl)aminocarbonyl]-1,3-thiazole hydrochloride

Acotiamide